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Ligand · T1J

T1J · 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol

T1J, 2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol (C14 H13 N3 O, 239.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
T1J
Formula
C14 H13 N3 O
Class
ligand
Structures
5
PDB entries
4

Binding sites

T1J in 5 structures; the first of them:

  • 5RVW · PanDDA analysis group deposition -- Crystal Structure of DHTKD1 in complex with… · T1J B1001 · binds ASP529, LEU530, PHE533, ALA584, MET623, ASP624, GLN627
  • 7GSE · PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with… · T1J A402 · binds ILE145, GLN157, LEU158, GLU159, THR168, ARG169, GLU170
  • 7H2I · PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in… · T1J B203 · binds MET51, THR27, LEU30, VAL36, HIS51, VAL52, LYS54, ALA132 and 1 more
  • 5REC · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · T1J A404 · binds THR198, ASN238, TYR239, GLU240, PRO241
  • 5RVW · Pandda analysis group deposition -- crystal structure of DHTKD1 in complex with… · T1J B1001 · binds ASP529, LEU530, PHE533, ALA584, MET623, ASP624, GLN627

Residues it binds most

ASP 3, GLU 3, LEU 4, ALA 3, GLN 3, MET 3, PRO 2, THR 3, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • TPP · Thiamine diphosphate
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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